6-Fluoro-4-hydroxyquinoline-3-carboxylic acid

Introduction

CAS No. :	343-10-2	MDL No. :	MFCD00973836
Formula :	C10H6FNO3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KCEJQAATYWQMMQ-UHFFFAOYSA-N
M.W :	207.16	Pubchem ID :	721205
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	5.0
Num. H-bond donors :	2.0
Molar Refractivity :	50.68
TPSA :	70.42 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.14 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.42
Log Po/w (XLOGP3) :	2.01
Log Po/w (WLOGP) :	2.2
Log Po/w (MLOGP) :	0.07
Log Po/w (SILICOS-IT) :	1.73
Consensus Log Po/w :	1.48

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-2.82
Solubility :	0.315 mg/ml ; 0.00152 mol/l
Class :	Soluble
Log S (Ali) :	-3.12
Solubility :	0.159 mg/ml ; 0.000766 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.79
Solubility :	0.34 mg/ml ; 0.00164 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.46

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

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